methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate

C9H16O3 — CID 11819479

IUPACmethyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C9H16O3/c1-9(11)5-3-4-7(9)6-8(10)12-2/h7,11H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyFIXUMOSVIWKIIY-IONNQARKSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate

methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate (PubChem CID 11819479) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate
PubChem CID11819479
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate
SMILESCOC(=O)C[C@@H]1CCC[C@@]1(C)O
InChIInChI=1S/C9H16O3/c1-9(11)5-3-4-7(9)6-8(10)12-2/h7,11H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyFIXUMOSVIWKIIY-IONNQARKSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cis-2-carbomethoxycyclopentane-1-carboxylic acid
CID 11194595
rac-(1R,2S)-2-(methoxycarbonyl)cyclopentane-1-carboxylic acid
CID 11344263
Methyl 3,7-dihydroxy-15-cycloneranate
CID 156581680
2-Propylcyclopentane-1-carboxylic acid
CID 14381285
rac-(1R,2R)-2-[(tert-butoxy)carbonyl]cyclopentane-1-carboxylic acid
CID 165982810
rac-tert-butyl (1R,2R)-2-(hydroxymethyl)cyclopentane-1-carboxylate
CID 177798374
2-[(1R,2S)-2-hydroxy-2-methylcyclopentyl]acetic acid
CID 101625410
(r)-4-(Tert-butoxy)-2-cyclopentyl-4-oxobutanoic acid
CID 70254387
cis-(1R,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 117893463
trans-2-Carbomethoxycyclopentane-1-carboxylic acid
CID 10844912
2-(1-Hydroxy-2-pentylcyclopentyl)acetic acid
CID 70818202
Ethyl (2-hydroxycyclopentyl)acetate
CID 71327527

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate?
The IUPAC name of methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate (CID 11819479) is methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate is COC(=O)C[C@@H]1CCC[C@@]1(C)O.
What is the InChIKey of methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate?
The InChIKey is FIXUMOSVIWKIIY-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(11)5-3-4-7(9)6-8(10)12-2/h7,11H,3-6H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate?
methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate has a molecular weight of 172.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]acetate is sourced from PubChem (CID 11819479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).